SCHEMBL2908836

SCHEMBL2908836

CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccc3c(c2)C2CCC3CN(C(=O)C(F)(F)F)C2)ncc1Cl.CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccc3c(c2)C2CCC3CN(C(=O)C(F)(F)F)C2)ncc1Cl

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.55
MET P08581 2/20 0.55
EGFR P00533 11/20 0.52
FLT3 P36888 2/20 0.51
ROS1 P08922 1/20 0.48
GLO1 Q04760 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2061692 1.00 ALK (0.55) ALKMETEGFRFLT3ROS1
SCHEMBL2061469 0.88 ALK (0.59) ALKMETEGFRFLT3ROS1
SCHEMBL2062015 0.86 ALK (0.61) ALKMETEGFR
SCHEMBL2060633 0.85 ALK (0.57) ALKFLT3
SCHEMBL2061634 0.85 ALK (0.57) ALKFLT3
SCHEMBL2060635 0.85 ALK (0.57) ALKFLT3
SCHEMBL2061633 0.85 ALK (0.57) ALKFLT3
SCHEMBL2061547 0.85 ALK (0.57) ALKFLT3
SCHEMBL2914656 0.83 MET (0.59) ALKMETEGFR
SCHEMBL884561 0.79 ALK (0.62) ALKMETEGFRFLT3ROS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed